SCHEMBL3548611

SCHEMBL3548611

COc1cccc(-c2ccc(CC3NCCc4cc(OC)c(OC)cc43)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.67
ADRB2 P07550 1/20 0.59
ADRB1 P08588 1/20 0.59
ADRB3 P13945 1/20 0.59
KDM4E B2RXH2 1/20 0.58
MAPT P10636 1/20 0.58
PKM P14618 1/20 0.58
ACHE P22303 2/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL3542262 0.99 BCHE (0.65) BCHEADRB2ADRB1ADRB3KDM4E
SCHEMBL14307357 0.90 BCHE (0.74) BCHEADRB2ADRB1ADRB3KDM4E
SCHEMBL3546894 0.90 BCHE (0.74) BCHEADRB2ADRB1ADRB3KDM4E
SCHEMBL13344580 0.90 BCHE (0.74) BCHEADRB2ADRB1ADRB3KDM4E
Hydrochloric Acid SCHEMBL5097169 0.89 BCHE (0.72) BCHEADRB2ADRB1ADRB3KDM4E
SCHEMBL4026022 0.88 BCHE (0.67) BCHEKDM4EMAPTPKM
SCHEMBL4027475 0.86 BCHE (0.79) BCHEKDM4EMAPTPKMACHE
SCHEMBL29590605 0.86 BCHE (0.79) BCHEKDM4EMAPTPKMACHE
SCHEMBL4245372 0.86 BCHE (0.79) BCHEKDM4EMAPTPKMACHE
SCHEMBL4251359 0.86 BCHE (0.79) BCHEKDM4EMAPTPKMACHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241774-B2 Substituted tetrahydroisoquinoline compounds, methods of making, and their use UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2007-07-10 US claimed
US-20040019078-A1 Substituted tetrahydroisoquinoline compounds, methods of making, and their use UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION,THE 2004-01-29 US claimed
US-7718672-B2 Substituted tetrahydroisoquinoline compounds, methods of making, and their use UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2010-05-18 US disclosed
US-7718672-B2 Substituted tetrahydroisoquinoline compounds, methods of making, and their use UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2010-05-18 US disclosed
US-7718672-B2 Substituted tetrahydroisoquinoline compounds, methods of making, and their use UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2010-05-18 US disclosed
US-20080033007-A1 Substituted Tetrahydroisoquinoline Compounds for Cancer Therapy MILLER DUANE D 2008-02-07 US disclosed
US-20080033007-A1 Substituted Tetrahydroisoquinoline Compounds for Cancer Therapy MILLER DUANE D 2008-02-07 US disclosed
US-20080033007-A1 Substituted Tetrahydroisoquinoline Compounds for Cancer Therapy MILLER DUANE D 2008-02-07 US disclosed
US-20070270460-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, METHODS OF MAKING, AND THEIR USE MILLER DUANE D 2007-11-22 US disclosed
US-20070270460-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, METHODS OF MAKING, AND THEIR USE MILLER DUANE D 2007-11-22 US disclosed
US-20070270460-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, METHODS OF MAKING, AND THEIR USE MILLER DUANE D 2007-11-22 US disclosed
US-7241774-B2 Substituted tetrahydroisoquinoline compounds, methods of making, and their use UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2007-07-10 US disclosed
US-7241774-B2 Substituted tetrahydroisoquinoline compounds, methods of making, and their use UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2007-07-10 US disclosed
US-7241774-B2 Substituted tetrahydroisoquinoline compounds, methods of making, and their use UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2007-07-10 US disclosed
US-20040019078-A1 Substituted tetrahydroisoquinoline compounds, methods of making, and their use UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION,THE 2004-01-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080033007-A1 Substituted Tetrahydroisoquinoline Compounds for Cancer Therapy BAD, TP53, MCL1 BCHE 2608/4885ADRB2 4360/4885ADRB1 4249/4885
US-20070270460-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, METHODS OF MAKING, AND THEIR USE BAX, CASP3, BAD BCHE 478/4885ADRB2 2868/4885ADRB1 2820/4885
US-20040019078-A1 Substituted tetrahydroisoquinoline compounds, methods of making, and their use BAD, BAX, CASP3 BCHE 606/4885ADRB2 2857/4885ADRB1 2762/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.